0 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.40 CC(CN)Oc1ccncc1 AB38917 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.17 CNCCc1cccnc1 AB10676 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.17 CNCCc1ccncc1 AB02055 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 c1cnccc1CCC=O AB49299 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.17 c1cnccc1CCCN AB43583 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.18 CC(C)Oc1ccccn1 AB63711 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.18 CC(Cc1ccccn1)N AB12969 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.18 CC(Cc1cccnc1)N AB23775 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.18 CC(Cc1ccncc1)N AB28531 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.18 CC(Cc1cnccn1)N AB28467 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,0,0,0,0,0|0,0,0]=1 35 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,0,0,0,0,0|0,0,0]=1 36 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,0,0,0,0,0|1,0,1]=3 37 B12R1.32 CN(CCN)Cc1ccccc1 MB02567 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.34 COC(=O)[C@@H](c1ccccc1)Br AB70356 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.43 c1ccc(cc1)CC(C(=O)O)N AB02573 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N AB02575 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br AB04813 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N AB00345 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.49 CC(CN)Oc1ccc(cc1)Br AB38871 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.49 CC(CN)Oc1ccc(cc1)Cl AB38863 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.49 CC(CN)Oc1ccc(cc1)F AB12553 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.49 COC(=N)Cc1ccc(cc1)Br AB60928 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.49 COC(=N)Cc1ccc(cc1)Cl AB60925 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.49 COC(=N)Cc1ccc(cc1)F AB60924 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.49 COC(=O)Cc1ccc(cc1)Br PB24610 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.49 Cc1ccc(cc1)CC(=N)OC AB60933 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.49 Cc1ccc(cc1)OC(C)CN AB16399 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.49 c1cc(ccc1CC(C#N)O)F AB13917 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O MB00396 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.50 CC(CN)Oc1cccc(c1)Br AB38868 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.50 CC(CN)Oc1cccc(c1)Cl AB38860 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.50 CC(CN)Oc1cccc(c1)F AB23638 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.50 COC(=N)Cc1cccc(c1)Br AB60935 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.50 COC(=N)Cc1cccc(c1)F AB60943 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.50 COC(=O)Cc1cccc(c1)F CB10636 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.50 Cc1cccc(c1)CC(=N)OC AB60932 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.50 Cc1cccc(c1)OC(C)CN AB23642 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.371 CC(CN)Oc1ccccc1Br AB38866 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.371 CC(CN)Oc1ccccc1Cl AB16403 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.371 CC(CN)Oc1ccccc1F AB23635 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.371 COC(=O)Cc1ccccc1Br AB42488 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.371 COC(=O)Cc1ccccc1N AB21308 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.371 Cc1ccccc1OC(C)CN AB23640 [0,1,0,0,0,0|3,0,0]=4 69 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [0,0,0,1,0,0|3,0,0]=4 70 B12R2.18 Cn1c2ccccc2nc1Cl AB07066 [0,0,0,1,0,0|2,0,1]=4 71 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,0,0,1,0,0|3,0,0]=4 72 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,1,0,0|3,0,0]=4 73 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,0,0,1,0,0|0,0,0]=1 75 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,0,0,1,0,0|0,0,0]=1 76 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,0,0,1,0,0|2,0,1]=4 77 B12R2.24 c1cc2c(nc1)CCC(C2)N AB61056 [0,0,0,1,0,0|3,0,0]=4 78 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,1,0,0|1,0,1]=3 79 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,1,0,0|2,0,0]=3 82 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 c1cncc2c1CC(=O)NC2 AB64881 [0,0,0,1,0,0|2,0,1]=4 86 B12R2.24 c1cncc2c1CNC(=O)C2 AB68337 [0,0,0,1,0,0|2,0,1]=4 87 B12R2.32 CNc1nc2ccccc2s1 AB01569 [0,0,0,1,0,0|2,0,1]=4 88 B12R2.32 c1ccc2c(c1)CC(C2)CN AB18567 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.32 c1ccc2c(c1)CC(C2)CO MB05939 [0,0,0,1,0,0|2,0,0]=3 90 B12R2.2058 c1ccc(cc1)OC2CNC2 PB16142 [0,0,0,1,0,0|3,0,0]=4 91 B10R1.15 CC(c1cccnc1)NC CB11165 [0,0,0,0,1,0|1,0,0]=2 92 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,0,0,0,1,0|2,0,0]=3 93 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,0,0,0,1,0|2,0,0]=3 94 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,0,0,0,1,0|2,0,1]=4 95 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [0,0,0,0,0,1|2,0,0]=3 96 B9R1.8 CNCc1ccccn1 AB10674 [2,0,0,0,0,0|1,0,0]=3 97 B9R1.8 CNCc1cccnc1 AB01384 [2,0,0,0,0,0|1,0,0]=3 98 B9R1.8 CNCc1ccncc1 AB02721 [2,0,0,0,0,0|1,0,0]=3 99 B9R1.8 CNCc1ccnnc1 PB24326 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.8 CNCc1cnccn1 PB18749 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.8 CNCc1cncnc1 PB33284 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.8 CNCc1ncccn1 PB29842 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.8 c1c(cncn1)CCN AB45406 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.8 c1cc(cnc1)CCN AB04606 [2,0,0,0,0,0|1,0,0]=3 105 B9R1.8 c1cc(cnc1)CNN PB16271 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.8 c1cc(nnc1)CCN AB61130 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.8 c1ccnc(c1)CCN AB00732 [2,0,0,0,0,0|1,0,0]=3 108 B9R1.8 c1ccnc(c1)CNN PB19014 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.8 c1cnc(cn1)CCN AB22666 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.8 c1cnc(nc1)CCN AB55156 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.8 c1cnccc1CCN AB01702 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.8 c1cnccc1CNN PB10342 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.8 c1cncnc1CCN PB14818 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.8 c1cnncc1CCN AB62610 [2,0,0,0,0,0|2,0,0]=4 115 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [1,1,0,0,0,0|0,0,0]=2 116 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [1,1,0,0,0,0|0,0,0]=2 117 B11R1.1 CNCCc1ccc(cc1)F AB27731 [1,1,0,0,0,0|0,0,0]=2 118 B11R1.1 CNCCc1ccc(cc1)N AB27726 [1,1,0,0,0,0|0,0,0]=2 119 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [1,1,0,0,0,0|0,0,0]=2 122 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.1 c1cc(ccc1CCCN)F AB38689 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.1 c1cc(ccc1CCCN)F AB66835 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.1 c1cc(ccc1CCCN)N AB51238 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.1 c1cc(ccc1CCCN)O AB07598 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [1,1,0,0,0,0|0,0,1]=3 134 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.17 Cc1ccccc1CCC=O AB42260 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.17 Cc1ccccc1CCCN AB38679 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [1,1,0,0,0,0|0,0,0]=2 144 B11R1.24 COCOc1cccc(c1)Br AB72137 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.24 Cc1cccc(c1)CCCN AB38680 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.24 Cc1cccc(c1)CCNC AB27735 [1,1,0,0,0,0|0,0,0]=2 148 B11R1.24 c1cc(cc(c1)Br)CCC=O AB49239 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.24 c1cc(cc(c1)F)CCC=O AB43534 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.28 CNCCCc1ccccc1 AB10671 [1,1,0,0,0,0|0,0,0]=2 155 B11R1.28 CNCCOc1ccccn1 AB60653 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.28 c1ccc(cc1)CCCCN AB00942 [1,1,0,0,0,0|1,0,0]=3 157 B11R1.28 c1ccc(cc1)CCCCN AB13248 [1,1,0,0,0,0|1,0,0]=3 158 B11R1.28 c1ccc(cc1)COCCN AB05315 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.28 c1ccc(cc1)NCCCN MB00433 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.20 CC(C)Cc1cnc(cn1)Br AB72274 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.20 CC(C)Cc1cnc(cn1)Cl AB73109 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.20 CC(C)Cc1cnc(cn1)N AB60522 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.20 CC(C)Cc1cnc(nc1)N AB60175 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.20 CC(C)Cc1ncc(cn1)N AB58993 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [1,1,0,0,0,0|1,0,0]=3 167 B11R1.20 CC(C)Oc1ccc(cn1)Br MB04495 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.20 CC(C)Oc1ccc(cn1)N AB40632 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.20 CC(C)Oc1ccc(nc1)Br MB13762 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [1,1,0,0,0,0|0,0,0]=2 172 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [1,1,0,0,0,0|0,0,0]=2 173 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [1,1,0,0,0,0|0,0,0]=2 176 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [1,1,0,0,0,0|0,0,0]=2 177 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [1,1,0,0,0,0|0,0,0]=2 178 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [1,1,0,0,0,0|0,0,0]=2 179 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [1,1,0,0,0,0|0,0,0]=2 181 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.86 CC(C)Oc1ccncc1O MB23246 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.86 CC(C)Oc1cnccc1O MB23247 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [1,1,0,0,0,0|0,0,0]=2 190 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [1,1,0,0,0,0|0,0,0]=2 191 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.86 CN(C)Cc1ccccc1N AB01574 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.86 Cc1ccccc1CC(C)N MB01550 [1,1,0,0,0,0|0,0,0]=2 194 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.157 CC(C)Nc1cc(ccn1)Br MB13934 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.157 CC(C)Oc1cc(ccn1)Br MB10313 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.157 CC(C)Oc1cc(ccn1)O MB23248 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.157 CC(C)Oc1cc(cnc1)Br MB14161 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.157 CC(C)Oc1cc(cnc1)O MB14428 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.157 CC(C)Oc1cccc(n1)Br AB54102 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.157 CC(C)Oc1ccnc(c1)Cl MB13766 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [1,1,0,0,0,0|0,0,0]=2 205 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [1,1,0,0,0,0|0,0,0]=2 206 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [1,1,0,0,0,0|0,0,0]=2 209 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [1,1,0,0,0,0|0,0,0]=2 210 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [1,1,0,0,0,0|0,0,0]=2 211 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [1,1,0,0,0,0|0,0,0]=2 213 B11R1.157 c1cc(cc(c1)Br)CC(=N)N AB60873 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.509 CC(C)(C)Oc1cccnc1 MB01044 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.509 CC(C)(Cc1ccccc1)N AB02355 [1,1,0,0,0,0|0,0,0]=2 218 B11R1.509 CC(C)(Cc1ccccn1)N AB76319 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.509 CC(C)(Cc1cccnc1)N AB77415 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.509 CC(C)(Cc1ccncc1)N AB76603 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.509 CC(C)(Cc1ccncn1)N AB77438 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.509 CC(C)(Cc1cncnc1)N AB77449 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.509 CC(C)(Cc1ncccn1)N AB77436 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.7 CC(C)(CN)c1ccccc1 CB10869 [0,1,0,0,1,0|2,0,0]=4 225 B11R1.7 CC(CN)(c1ccccc1)O AB18534 [0,1,0,0,1,0|2,0,0]=4 226 B11R1.7 CC(CN)(c1ccccc1)O AB31018 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,1,0,0,1,0|1,0,1]=4 228 B11R1.22 C[C@@H](CN)c1ccc(cc1)Br AB85104 [0,1,0,0,1,0|2,0,0]=4 229 B11R1.22 C[C@H](CN)c1ccc(cc1)Br AB85095 [0,1,0,0,1,0|2,0,0]=4 230 B11R1.22 C[C@H](CN)c1ccc(cc1)F AB85098 [0,1,0,0,1,0|2,0,0]=4 231 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,1,0,0,1,0|1,0,1]=4 232 B11R1.23 C[C@@H](CN)c1cccc(c1)Br AB85102 [0,1,0,0,1,0|2,0,0]=4 233 B11R1.23 C[C@H](CN)c1cccc(c1)Br AB85093 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,1,0,0,1,0|1,0,1]=4 235 B13R1.19 CN(CCN)Cc1ccc(cc1)Br MB05585 [0,2,0,0,0,0|2,0,0]=4 236 B13R1.20 CN(CCN)Cc1cccc(c1)Cl MB05582 [0,2,0,0,0,0|2,0,0]=4 237 B13R1.418 c1ccc(cc1)CC(CN)C(=O)O AB09206 [0,2,0,0,0,0|2,0,0]=4 238 B13R1.418 c1ccc(cc1)C[C@@H](CN)C(=O)O AB34723 [0,2,0,0,0,0|2,0,0]=4 239 B13R1.418 c1ccc(cc1)C[C@H](CN)C(=O)O AB34725 [0,2,0,0,0,0|2,0,0]=4 240 B13R1.1073 CC(Cc1ccccc1)(C(=O)O)N AB01038 [0,2,0,0,0,0|2,0,0]=4 241 B13R1.1073 C[C@@](Cc1ccccc1)(C(=O)O)N AB04114 [0,2,0,0,0,0|2,0,0]=4 242 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)N AB03937 [0,2,0,0,0,0|2,0,0]=4 243 B11R2.1 CN1CCc2c1cccc2 MB02030 [1,0,0,1,0,0|0,0,0]=2 244 B11R2.1 Cn1c2ccccc2cn1 PB18505 [1,0,0,1,0,0|1,0,1]=4 245 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [1,0,0,1,0,0|2,0,0]=4 246 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [1,0,0,1,0,0|1,0,0]=3 247 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [1,0,0,1,0,0|2,0,0]=4 248 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [1,0,0,1,0,0|2,0,0]=4 249 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [1,0,0,1,0,0|2,0,0]=4 250 B11R2.20 c1c2c(ncn1)CCNC2 AB51364 [1,0,0,1,0,0|2,0,0]=4 251 B11R2.20 c1c2c(ncn1)CCNC2 PB13144 [1,0,0,1,0,0|2,0,0]=4 252 B11R2.20 c1c2c(ncn1)CNCC2 AB48465 [1,0,0,1,0,0|2,0,0]=4 253 B11R2.20 c1c2c(ncn1)CNCC2 PB35202 [1,0,0,1,0,0|2,0,0]=4 254 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [1,0,0,1,0,0|1,0,0]=3 255 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [1,0,0,1,0,0|1,0,0]=3 256 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [1,0,0,1,0,0|0,0,2]=4 257 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [1,0,0,1,0,0|2,0,0]=4 258 B11R2.20 c1cncc2c1CCNC2 PB10616 [1,0,0,1,0,0|1,0,0]=3 259 B11R2.20 c1cncc2c1CNCC2 AB48928 [1,0,0,1,0,0|1,0,0]=3 260 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [1,0,0,1,0,0|1,0,1]=4 261 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [1,0,0,1,0,0|1,0,0]=3 262 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [1,0,0,1,0,0|0,0,0]=2 263 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [1,0,0,1,0,0|1,0,0]=3 264 B11R2.40 c1ccc(cc1)C2(CC2)N AB22505 [0,0,0,1,1,0|2,0,0]=4 265 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 AB09758 [0,0,0,1,0,1|1,0,1]=4 266 B13R2.57 c1ccc2c(c1)CC(CO2)C=O AB56552 [0,0,0,1,0,1|2,0,0]=4 267 B13R2.57 c1ccc2c(c1)CC(NC2)CN AB31262 [0,0,0,1,0,1|2,0,0]=4 268 B13R2.57 c1ccc2c(c1)CCC(C2)CN AB28261 [0,0,0,1,0,1|2,0,0]=4 269 B13R2.3203 c1ccc(cc1)OCC2(CC2)N MB09044 [0,0,0,1,0,1|2,0,0]=4 270 B13R2.15 c1ccc(cc1)[C@@H]2CNC[C@H]2N AB60630 [0,1,0,1,0,0|1,0,0]=3 271 B13R2.15 c1ccc(cc1)[C@@H]2CNC[C@H]2O PB20756 [0,1,0,1,0,0|1,0,0]=3 272 B13R2.31 c1ccc(cc1)CN2CC(C2)O PB10180 [0,1,0,1,0,0|2,0,0]=4 273 B13R2.64 c1cc(cnc1)CC2CCNC2 AB20722 [0,1,0,1,0,0|1,0,0]=3 274 B13R2.64 c1ccc(cc1)CC2CCCN2 AB09388 [0,1,0,1,0,0|0,0,0]=2 275 B13R2.163 c1ccc2c(c1)CCNC(=O)C2 MB01179 [0,1,0,1,0,0|1,0,1]=4 276 B13R2.45 Cn1c2ccccc2cc1CO AB18955 [0,1,0,1,0,0|0,0,2]=4 277 B13R2.45 Cn1c2ccccc2nc1CCl CB10371 [0,1,0,1,0,0|1,0,1]=4 278 B13R2.45 Cn1c2ccccc2nc1CN AB06071 [0,1,0,1,0,0|1,0,1]=4 279 B13R2.45 c1ccc2c(c1)C[C@H]([C@H]2N)CO AB42784 [0,1,0,1,0,0|2,0,0]=4 280 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [0,1,0,1,0,0|2,0,0]=4 281 B13R2.423 B(C1CC1c2ccccc2)(O)O AB14743 [0,1,0,1,0,0|2,0,0]=4 282 B13R2.423 B([C@H]1C[C@@H]1c2ccccc2)(O)O AB29955 [0,1,0,1,0,0|2,0,0]=4 283 B13R2.3028 CC1Cc2ccc(cc2C1=O)F MB00358 [0,1,0,1,0,0|2,0,0]=4 284 B13R2.3028 CN1c2cc(ccc2CC1=O)N PB27060 [0,1,0,1,0,0|1,0,1]=4 285 B13R2.3683 c1cc2c(cc1Br)CCC(C2)N AB28753 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N AB28749 [0,1,0,1,0,0|2,0,0]=4 287 B13R2.3683 c1cc2c(cc1F)CCC(C2)N AB18461 [0,1,0,1,0,0|2,0,0]=4 288 B13R2.3683 c1cc2c(cc1F)CCC(C2)O AB19247 [0,1,0,1,0,0|2,0,0]=4 289 B13R2.3683 c1cc2c(cc1F)CC[C@@H](C2)N AB28759 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.3683 c1cc2c(cc1O)CCC(C2)N AB43907 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.155 CC1Cc2cc(ccc2CN1)Br AB39367 [0,1,0,1,0,0|0,0,0]=2 292 B13R2.155 CN1CCc2ccc(cc2C1)N PB19216 [0,1,0,1,0,0|2,0,0]=4 293 B13R2.155 c1cc2c(cc1Br)CC(CC2)N AB28750 [0,1,0,1,0,0|2,0,0]=4 294 B13R2.155 c1cc2c(cc1Cl)CC(CC2)N AB28745 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.155 c1cc2c(cc1F)CC(CC2)N AB28755 [0,1,0,1,0,0|2,0,0]=4 296 B13R2.155 c1cc2c(cc1O)CC(CC2)N AB28767 [0,1,0,1,0,0|2,0,0]=4 297 B13R2.5190 CN1c2ccc(cc2CC1=O)N PB12659 [0,1,0,1,0,0|1,0,1]=4 298 B13R2.4825 CN1c2cccc(c2CC1=O)Br PB19105 [0,1,0,1,0,0|1,0,1]=4 299 B9R1.12 CNCCc1cccs1 AB18501 [1,0,0,0,1,0|1,0,0]=3 300 B9R1.12 CNCCn1cccn1 AB48422 [1,0,0,0,1,0|2,0,0]=4 301 B9R1.6 CC(C)c1ccccn1 PB21659 [1,0,0,0,1,0|1,0,0]=3 302 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,0,0,0,1,0|1,0,0]=3 303 B9R1.6 CC(c1ccccn1)N AB21604 [1,0,0,0,1,0|1,0,0]=3 304 B9R1.6 CC(c1cccnc1)N AB09764 [1,0,0,0,1,0|1,0,0]=3 305 B9R1.6 CC(c1ccncc1)N AB11609 [1,0,0,0,1,0|1,0,0]=3 306 B9R1.6 CC(c1ccncn1)N PB34498 [1,0,0,0,1,0|2,0,0]=4 307 B9R1.6 CC(c1ccnnc1)N PB22705 [1,0,0,0,1,0|2,0,0]=4 308 B9R1.6 CC(c1cnccn1)N PB14922 [1,0,0,0,1,0|2,0,0]=4 309 B9R1.6 CC(c1cncnc1)N PB22435 [1,0,0,0,1,0|2,0,0]=4 310 B9R1.6 CC(c1ncccn1)N AB59468 [1,0,0,0,1,0|2,0,0]=4 311 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,0,0,0,1,0|1,0,0]=3 312 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [1,0,0,0,1,0|1,0,0]=3 313 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [1,0,0,0,1,0|2,0,0]=4 314 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,0,0,0,1,0|1,0,0]=3 315 B9R1.6 C[C@H](c1ccncc1)N AB49745 [1,0,0,0,1,0|1,0,0]=3 316 B9R1.6 C[C@H](c1cncnc1)N PB28768 [1,0,0,0,1,0|2,0,0]=4 317 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,0,0,1,0|1,0,1]=4